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PD-L1/VISTA-IN-1

CAT: 0804-HY-170793Size: 1 EachDry Ice: NoHazardous: No
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Description
PD-L1/VISTA-IN-1 (Compound P17) is an orally active dual-target inhibitor of PD-L1 and VISTA. PD-L1/VISTA-IN-1 can block the PD-1/PD-L1 interaction (IC50: 0.1492 μM) and the VISTA pathway (KD: 0.2723 μM), thereby reactivating T cells. PD-L1/VISTA-IN-1 has anti-tumor activity[1].
CAS Number
2978623-09-3
UNSPSC
12352005
Target
PD-1/PD-L1; VISTA
Related Pathways
Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
CC1=C(C=CC=C1C2=CC=CC=C2)NC3=NC(OC)=CC(CN[C@H](C(O)=O)CO)=N3
Molecular Formula
C22H24N4O4
Molecular Weight
408.45
References & Citations
[1]Sun C, et al. Novel PD-L1/VISTA Dual Inhibitor as Potential Immunotherapy Agents. J Med Chem. 2025 Jan 9;68 (1) :156-173.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PD-L1/VISTA dual inhibitor P17
CAS Number2978623-09-3
PubChem CID168868881
IUPAC Name(2S)-3-hydroxy-2-[[6-methoxy-2-(2-methyl-3-phenylanilino)pyrimidin-4-yl]methylamino]propanoic acid
Molecular FormulaC22H24N4O4
Molecular Weight408.4
XLogP0.4
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity531
SMILES
CC1=C(C=CC=C1NC2=NC(=CC(=N2)OC)CN[C@@H](CO)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C22H24N4O4/c1-14-17(15-7-4-3-5-8-15)9-6-10-18(14)25-22-24-16(11-20(26-22)30-2)12-23-19(13-27)21(28)29/h3-11,19,23,27H,12-13H2,1-2H3,(H,28,29)(H,24,25,26)/t19-/m0/s1
InChIKey
QSHNMTVUJAVARU-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of PD-L1/VISTA dual inhibitor P17
CAS: 2978623-09-3
CID: 168868881
Formula: C22H24N4O4
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass408.17975526
Monoisotopic Mass408.17975526
Topological Polar Surface Area117 Ų
Heavy Atom Count30
Formal Charge0
Complexity531
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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